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Project milestone Open Access

Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography

James S Fraser

Research group(s)
QBI Coronavirus Research Group Structural Biology Consortium

Macrodomain is a compelling target for SARS-CoV-2, but there are no inhibitors (or even starting points for inhibitors). The QCRG Structural Biology Consortium performed a crystallographic fragments screen, identifying a few small molecules to kick-start our work to develop an inhibitor. Our friends in the UK, Ivan Ahel’s lab and X-Chem, did something similar and found even more fragment starting points. We are releasing the data together!

This record has the data available here: https://fraserlab.com/macrodomain/ prior to public release on July 9, 2020.

Files (668.5 MB)
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20200630_ucsf_macrdomain_fragments.xlsx
md5:219cb3b2f47f168d9cec221d3ccbb9e7
33.5 kB Download
hits_mtzs_models.zip
md5:98c95dda55f917c3983612a96b9b566e
146.8 MB Download
macrodomain.zip
md5:7e114a9038057f2ced57ecdabb1a769a
1.6 MB Download
mtzs_all.zip
md5:97da6f0ab873ecd2d57b2b3350c8a9c7
520.0 MB Download
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